[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate

C14H18BrNO4 — CID 7694703

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESCC(C)(C)NC(=O)COC(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H18BrNO4/c1-14(2,3)16-12(17)8-20-13(18)9-19-11-6-4-5-10(15)7-11/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyBOKBTMDCXLUTEO-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.29
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate (PubChem CID 7694703) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
PubChem CID7694703
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESCC(C)(C)NC(=O)COC(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H18BrNO4/c1-14(2,3)16-12(17)8-20-13(18)9-19-11-6-4-5-10(15)7-11/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyBOKBTMDCXLUTEO-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
CID 61320779
[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 9193534
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970608
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate (CID 7694703) is [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate is CC(C)(C)NC(=O)COC(=O)COc1cccc(Br)c1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The InChIKey is BOKBTMDCXLUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-14(2,3)16-12(17)8-20-13(18)9-19-11-6-4-5-10(15)7-11/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate has a molecular weight of 344.21 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 7694703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).